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Anilate Tethered Neutral Tetrahedral Pd(II) Cages Exhibiting Selective Encapsulation of Xylenes and Mesitylene
Authors:Dr. Ashok Yadav  Meghamala Sarkar  Dr. Sappati Subrahmanyam  Atul Chaudhary  Prof. Dr. Evamarie Hey-Hawkins  Prof. Dr. Ramamoorthy Boomishankar
Affiliation:1. Department of Chemistry, Indian Institute of Science Education and Research Pune, Dr. Homi Bhabha Road, Pune, 411008 India;2. Department of Chemistry, Indian Institute of Science Education and Research Pune, Dr. Homi Bhabha Road, Pune, 411008 India

These authors contributed equally to this work.;3. Institut für Anorganische Chemie, Fakultät für Chemie und Mineralogie, Universität Leipzig, 04103 Leipzig, Germany

Abstract:The design of porous materials for the recognition of multiple hydrocarbons is highly desirable for the energy-efficient separation and recognition of chemical feedstock. Herein, three new iso-structural porous discrete metal–organic cages of formula {[Pd3(NiPr)3PO]4(R-AN)6} (R-AN=anilate linkers) for the selective recognition of substituted aromatic hydrocarbons are reported. The tetrahedral cages 1 , 2 , and 3 containing anilate, chloranilate, and bromanilate linkers exhibited selective encapsulation of mesitylene, o-xylene, and p-xylene, respectively, over other analogous aromatic hydrocarbons. These selective encapsulations were driven by the variations in the portal diameters present at each of these cages and their interactions with the hydrocarbon guests. These observations are supported by mass spectrometry, NMR studies, and theoretical binding-energy calculations.
Keywords:anilate ligands  host–guest systems  imido anions  polyhedral cages  xylene separation
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